4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide

C13H18N2O2 — CID 43212374

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
SMILESN/C(CCCOc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C13H18N2O2/c14-13(15-16)5-2-8-17-12-7-6-10-3-1-4-11(10)9-12/h6-7,9,16H,1-5,8H2,(H2,14,15)
InChIKeyFMPJWRJLCHJWOP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide

4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide (PubChem CID 43212374) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
PubChem CID43212374
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
SMILESN/C(CCCOc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C13H18N2O2/c14-13(15-16)5-2-8-17-12-7-6-10-3-1-4-11(10)9-12/h6-7,9,16H,1-5,8H2,(H2,14,15)
InChIKeyFMPJWRJLCHJWOP-UHFFFAOYSA-N
XLogP2.08
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77071229
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
CID 61398910
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
CID 82085160

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide (CID 43212374) is 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide is N/C(CCCOc1ccc2c(c1)CCC2)=N\O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide?
The InChIKey is FMPJWRJLCHJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(15-16)5-2-8-17-12-7-6-10-3-1-4-11(10)9-12/h6-7,9,16H,1-5,8H2,(H2,14,15).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide?
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide has a molecular weight of 234.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 43212374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).